2-(4-iodoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C15H13N4O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-iodoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N4O3I |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNc(cc2)ccc2I)=O)cc1)=O |
| InChI | InChI=1S/C15H13IN4O3/c16-12-3-5-13(6-4-12)17-10-15(21)19-18-9-11-1-7-14(8-2-11)20(22)23/h1-9,17H,10H2,(H,19,21) |
| InChIK | KGTHNAQINJDBSN-UHFFFAOYSA-N |
| TotalMolweight | 424.193 |
| Molweight | 424.193 |
| MonoisotopicMass | 424.003239 |
| CLogP | 2.009 |
| CLogS | -5.019 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 262.16 |
| Relative PSA | 0.29711 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | 0.30244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(4-iodoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(4-iodoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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